Dipentaerythritol hexacetate

Base Information

• Chemical Name: Dipentaerythritol hexacetate
• CAS No.: 67754-23-8
• Molecular Formula: C22H34O13
• Molecular Weight: 506.504
• European Community (EC) Number: 266-999-2
• UNII: IE7A611L8E
• DSSTox Substance ID: DTXSID30867320
• Nikkaji Number: J106.162C
• Wikidata: Q27280679
• Mol file: 67754-23-8.mol

Synonyms:Dipentaerythritol hexacetate;Dipentaerythrityl hexaacetate;67754-23-8;UNII-IE7A611L8E;IE7A611L8E;EINECS 266-999-2;1,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-((acetyloxy)methyl)-, tetraacetate;1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-[(acetyloxy)methyl]-, tetraacetate;1,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-((acetyloxy)methyl)-, 1,1',3,3'-tetraacetate;Dipentaerythrit-hexaacetat;dipentaerythritol hexaacetate;SCHEMBL813641;DTXSID30867320;C22H34O13;C22-H34-O13;Q27280679;2,2'-(Oxybis(methylene))bis(2-((acetyloxy)methyl)propane-1,2-diyl)tetraacetate;2,2'-[oxybis(methylene)]bis[2-[(acetyloxy)methyl]propane-1,2-diyl] tetraacetate

Chemical Property of Dipentaerythritol hexacetate

Chemical Property:

• Boiling Point: 541.7°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 167.03000
• Density: 1.208g/cm³
• LogP: 0.35440
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 22
• Exact Mass: 506.19994113
• Heavy Atom Count: 35
• Complexity: 605

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(COCC(COC(=O)C)(COC(=O)C)COC(=O)C)(COC(=O)C)COC(=O)C

Technology Process of Dipentaerythritol hexacetate

There total 7 articles about Dipentaerythritol hexacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

Dipentaerythritol (126-58-9) + acetic anhydride (108-24-7) → 1,2',2'',6',6'',7-hexa-O-acetyl-2',2'',6',6''-tetra-(hydroxymethyl)-4-oxa-heptanediol (67754-23-8)

Guidance literature:

With pyridine; at 20 ℃; for 12h;

DOI:10.1134/S1070363206070073

Reference yield:

Pentaerythritol (115-77-5) + acetic anhydride (108-24-7) → pentaerythritol tetracetate (597-71-7) + 1,2',2'',6',6'',7-hexa-O-acetyl-2',2'',6',6''-tetra-(hydroxymethyl)-4-oxa-heptanediol (67754-23-8)

Guidance literature:

Pentaerythritol; With sulfuric acid; In sulfolane; at 175 ℃; for 1h; Sealed tube;

acetic anhydride; With dmap; at 150 ℃; for 1.5h;

DOI:10.1021/acs.oprd.0c00269

Reference yield:

Pentaerythritol (115-77-5) → 1,2',2'',6',6'',7-hexa-O-acetyl-2',2'',6',6''-tetra-(hydroxymethyl)-4-oxa-heptanediol (67754-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Diethyl carbonate; potassium hydroxide / 4 h / 126 °C

2.1: aluminium(III) triflate / neat liquid / 0.17 h / 155 °C

2.2: 1.5 h / 150 °C

With aluminium(III) triflate; potassium hydroxide; Diethyl carbonate; In neat liquid;

DOI:10.1021/acs.oprd.1c00273

upstream raw materials:

Dipentaerythritol

acetic anhydride

Pentaerythritol

3,3-bis(hydroxymethyl)oxetane

Refernces

• 1、 Landart, Mélissa,Lemaire, Marc,Métay, Estelle. "Synthesis of dipentaerythritol from pentaerythritol under acidic conditions". supporting information. p. 2591 - 2603. Retrieved 2020/12/29.